N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-[(4-fluorophenyl)methoxy]benzamide

C29H24FN3O2 — CID 4969011

IUPACN-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-[(4-fluorophenyl)methoxy]benzamide
SMILESO=C(NC(Cc1ccccc1)c1nc2ccccc2[nH]1)c1ccccc1OCc1ccc(F)cc1
InChIInChI=1S/C29H24FN3O2/c30-22-16-14-21(15-17-22)19-35-27-13-7-4-10-23(27)29(34)33-26(18-20-8-2-1-3-9-20)28-31-24-11-5-6-12-25(24)32-28/h1-17,26H,18-19H2,(H,31,32)(H,33,34)
InChIKeyGLOURKITSOHDIK-UHFFFAOYSA-N
MW465.53 g/mol
LogP5.99
Rot. Bonds8

About N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-[(4-fluorophenyl)methoxy]benzamide

N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-[(4-fluorophenyl)methoxy]benzamide (PubChem CID 4969011) has the molecular formula C29H24FN3O2 and a molecular weight of 465.53 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-[(4-fluorophenyl)methoxy]benzamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-[(4-fluorophenyl)methoxy]benzamide
PubChem CID4969011
Molecular FormulaC29H24FN3O2
Molecular Weight465.53 g/mol
Exact Mass465.19
IUPAC NameN-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-[(4-fluorophenyl)methoxy]benzamide
SMILESO=C(NC(Cc1ccccc1)c1nc2ccccc2[nH]1)c1ccccc1OCc1ccc(F)cc1
InChIInChI=1S/C29H24FN3O2/c30-22-16-14-21(15-17-22)19-35-27-13-7-4-10-23(27)29(34)33-26(18-20-8-2-1-3-9-20)28-31-24-11-5-6-12-25(24)32-28/h1-17,26H,18-19H2,(H,31,32)(H,33,34)
InChIKeyGLOURKITSOHDIK-UHFFFAOYSA-N
XLogP5.99
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.53
LogP ≤ 55.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-chloro-4,5-difluorobenzamide
CID 2330762
N-(1H-benzimidazol-2-ylmethyl)-2-[(4-fluorophenyl)methoxy]benzamide
CID 21008793
tert-butyl N-[1-(1H-benzimidazol-2-yl)-2-(4-phenylmethoxyphenyl)ethyl]carbamate
CID 77225957
N-[1-(1H-benzimidazol-2-yl)-2-(4-hydroxyphenyl)ethyl]-2-oxo-3H-1,3-benzoxazole-7-carboxamide
CID 167812531
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-6-methylpyridine-3-carboxamide
CID 46563495
N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 3653845
N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-(4-bromophenyl)acetamide
CID 4877413
N-[(1R)-1-(1H-benzimidazol-2-yl)-2-(4-hydroxyphenyl)ethyl]-2-methylpyrazole-3-carboxamide
CID 97211410
benzyl N-[4-[[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]amino]-4-oxobutyl]carbamate
CID 55939947
N-[(1S)-1-(1H-benzimidazol-2-yl)butyl]-2-fluorobenzamide
CID 948873
5-[[1-(1H-benzimidazol-2-yl)-2-(4-hydroxyphenyl)ethyl]carbamoyl]-1H-pyrrole-3-sulfonyl fluoride
CID 166407207
N-[(1R)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-3-methylsulfanylpropanamide
CID 40633884

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-[(4-fluorophenyl)methoxy]benzamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-[(4-fluorophenyl)methoxy]benzamide (CID 4969011) is N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-[(4-fluorophenyl)methoxy]benzamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-[(4-fluorophenyl)methoxy]benzamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-[(4-fluorophenyl)methoxy]benzamide is O=C(NC(Cc1ccccc1)c1nc2ccccc2[nH]1)c1ccccc1OCc1ccc(F)cc1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-[(4-fluorophenyl)methoxy]benzamide?
The InChIKey is GLOURKITSOHDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24FN3O2/c30-22-16-14-21(15-17-22)19-35-27-13-7-4-10-23(27)29(34)33-26(18-20-8-2-1-3-9-20)28-31-24-11-5-6-12-25(24)32-28/h1-17,26H,18-19H2,(H,31,32)(H,33,34).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-[(4-fluorophenyl)methoxy]benzamide?
N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-[(4-fluorophenyl)methoxy]benzamide has a molecular weight of 465.53 g/mol, XLogP of 5.99, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-[(4-fluorophenyl)methoxy]benzamide is sourced from PubChem (CID 4969011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).